Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2006662
Preview
Coordinates | 2006662.cif |
---|---|
Original IUCr paper | HTML |
Formula | C32 H30 Cl2 N10 Ni |
---|---|
Calculated formula | C32 H30 Cl2 N10 Ni |
SMILES | [Ni]1234([NH](Cc5n1c1ccccc1[nH]5)Cc1n2c2c([nH]1)cccc2)[NH](Cc1n3c2c([nH]1)cccc2)Cc1n4c2c([nH]1)cccc2.[Cl-].[Cl-] |
Title of publication | Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride |
Authors of publication | Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 11 |
Pages of publication | 1607 - 1609 |
a | 9.724 ± 0.001 Å |
b | 11.055 ± 0.001 Å |
c | 16.361 ± 0.002 Å |
α | 79.79 ± 0.01° |
β | 79.19 ± 0.01° |
γ | 73.7 ± 0.01° |
Cell volume | 1643.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1083 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for all reflections | 0.1305 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Goodness-of-fit parameter for all reflections | 1.072 |
Goodness-of-fit parameter for significantly intense reflections | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006662.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.